UCSF

ZINC48640756

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 4.58 -8.15 2 4 0 57 290.388 2
Mid Mid (pH 6-8) 3.15 4.68 -27.81 3 4 1 58 291.396 2
Lo Low (pH 4.5-6) 3.15 5.36 -31.3 2 4 0 61 290.388 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )